input word = C00033069

Metabolite InformationStructural formula
Name Jasnudifloside A
(-)-Jasnudifloside A
Formula C44H64O23
Mw 960.38383835
CAS RN 244230-20-4
C_ID C00033069 ,
InChIKey PEVWIGNKOSRYCF-PWOSFFANNA-N
InChICode InChI=1S/C44H64O23/c1-7-20-23(26(39(56)58-5)16-61-41(20)66-43-37(54)35(52)33(50)29(13-46)64-43)10-31(48)60-15-25-19(4)28(9-22(25)18(3)12-45)63-32(49)11-24-21(8-2)42(62-17-27(24)40(57)59-6)67-44-38(55)36(53)34(51)30(14-47)65-44/h7-8,16-19,22-25,28-30,33-38,41-47,50-55H,9-15H2,1-6H3/b20-7+,21-8+/t18-,19+,22-,23-,24-,25-,28-,29+,30+,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-/m0/s1
SMILES O1C=C([C@H](/C(=C\C)/[C@@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CC(=O)OC[C@@H]1[C@@H](C[C@H](OC(=O)C[C@@H]2C(=CO[C@H](/C/2=C/C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(=O)OC)[C@@H]1C)[C@@H](C)CO)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeJasminum nudiflorum Ref.
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